Compound Identification
SMILES
C[C@@]12CCC3[C@@]4(C)C=CC(O)C(C)(C)C4C[C@@H](O)[C@@]3(C)C1=CC[C@H]2C1=COC=C1
InChIKey
InChIKey=WBUCCLRYSQJROM-ZLKKSGRSSA-N
Formula
C26H36O3
Mass
396.571
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Triterpenoids
- Level 5 Limonoids
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Subclass
Triterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Limonoids
Alternative Parents
17-furanylsteroids and derivatives 7-hydroxysteroids 3-hydroxy delta-1-steroids Delta-1-steroids Heteroaromatic compounds Furans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - 3-hydroxy-delta-1-steroid - 3-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - Steroid - Delta-1-steroid - Furan - Cyclic alcohol - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.
External Descriptors
Not available